7-(propan-2-yl)-4-(pyridin-4-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-(propan-2-yl)-4-(pyridin-4-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-(propan-2-yl)-4-(pyridin-4-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0285 |
| Compound Name: | 7-(propan-2-yl)-4-(pyridin-4-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C20 H18 N4 S |
| Smiles: | CC(C)c1ccc2c(c1)N=C(c1ccncc1)N=C(c1cccs1)N2 |
| Stereo: | ACHIRAL |
| logP: | 4.4551 |
| logD: | 4.4537 |
| logSw: | -4.1552 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.922 |
| InChI Key: | FWVFXKFMLSFCST-UHFFFAOYSA-N |